4-methyl-2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 4-methyl-2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 2-hydroxy-4-methyl-5-sulfo-benzoic acid CAS Name: 2-hydroxy-4-methyl-5-sulfobenzoic acid IUPAC Name: 2-hydroxy-4-methyl-5-sulfobenzoic acid Traditional Name: 2-hydroxy-4-methyl-5-sulfo-benzoic acid Formula: C8H8O6S MolecularWeight: 232.21052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H8O6S/c1-4-2-6(9)5(8(10)11)3-7(4)15(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14)